ethyl 9H-fluorene-9-carboxylate

C16H14O2 — CID 596964

IUPACethyl 9H-fluorene-9-carboxylate
SMILESCCOC(=O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C16H14O2/c1-2-18-16(17)15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h3-10,15H,2H2,1H3
InChIKeyDAOQKFHSVVIUKC-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.36
Rot. Bonds2

About ethyl 9H-fluorene-9-carboxylate

ethyl 9H-fluorene-9-carboxylate (PubChem CID 596964) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is ethyl 9H-fluorene-9-carboxylate.

Molecular Properties

Compound Nameethyl 9H-fluorene-9-carboxylate
PubChem CID596964
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Nameethyl 9H-fluorene-9-carboxylate
SMILESCCOC(=O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C16H14O2/c1-2-18-16(17)15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h3-10,15H,2H2,1H3
InChIKeyDAOQKFHSVVIUKC-UHFFFAOYSA-N
XLogP3.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 9H-fluorene-9-carboxylate?
The IUPAC name of ethyl 9H-fluorene-9-carboxylate (CID 596964) is ethyl 9H-fluorene-9-carboxylate.
What is the SMILES notation for ethyl 9H-fluorene-9-carboxylate?
The canonical SMILES for ethyl 9H-fluorene-9-carboxylate is CCOC(=O)C1c2ccccc2-c2ccccc21.
What is the InChIKey of ethyl 9H-fluorene-9-carboxylate?
The InChIKey is DAOQKFHSVVIUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c1-2-18-16(17)15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h3-10,15H,2H2,1H3.
What are the key properties of ethyl 9H-fluorene-9-carboxylate?
ethyl 9H-fluorene-9-carboxylate has a molecular weight of 238.29 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9H-fluorene-9-carboxylate is sourced from PubChem (CID 596964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).